1-(4-methoxycyclohexyl)-5-methyl-4-propan-2-ylpyrazole

C14H24N2O — CID 176692261

IUPAC1-(4-methoxycyclohexyl)-5-methyl-4-propan-2-ylpyrazole
SMILESCOC1CCC(n2ncc(C(C)C)c2C)CC1
InChIInChI=1S/C14H24N2O/c1-10(2)14-9-15-16(11(14)3)12-5-7-13(17-4)8-6-12/h9-10,12-13H,5-8H2,1-4H3
InChIKeySNSGBEWRXQBHLN-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.45
Rot. Bonds3

About 1-(4-methoxycyclohexyl)-5-methyl-4-propan-2-ylpyrazole

1-(4-methoxycyclohexyl)-5-methyl-4-propan-2-ylpyrazole (PubChem CID 176692261) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-(4-methoxycyclohexyl)-5-methyl-4-propan-2-ylpyrazole.

Molecular Properties

Compound Name1-(4-methoxycyclohexyl)-5-methyl-4-propan-2-ylpyrazole
PubChem CID176692261
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-(4-methoxycyclohexyl)-5-methyl-4-propan-2-ylpyrazole
SMILESCOC1CCC(n2ncc(C(C)C)c2C)CC1
InChIInChI=1S/C14H24N2O/c1-10(2)14-9-15-16(11(14)3)12-5-7-13(17-4)8-6-12/h9-10,12-13H,5-8H2,1-4H3
InChIKeySNSGBEWRXQBHLN-UHFFFAOYSA-N
XLogP3.45
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxycyclohexyl)-5-methyl-4-propan-2-ylpyrazole?
The IUPAC name of 1-(4-methoxycyclohexyl)-5-methyl-4-propan-2-ylpyrazole (CID 176692261) is 1-(4-methoxycyclohexyl)-5-methyl-4-propan-2-ylpyrazole.
What is the SMILES notation for 1-(4-methoxycyclohexyl)-5-methyl-4-propan-2-ylpyrazole?
The canonical SMILES for 1-(4-methoxycyclohexyl)-5-methyl-4-propan-2-ylpyrazole is COC1CCC(n2ncc(C(C)C)c2C)CC1.
What is the InChIKey of 1-(4-methoxycyclohexyl)-5-methyl-4-propan-2-ylpyrazole?
The InChIKey is SNSGBEWRXQBHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-10(2)14-9-15-16(11(14)3)12-5-7-13(17-4)8-6-12/h9-10,12-13H,5-8H2,1-4H3.
What are the key properties of 1-(4-methoxycyclohexyl)-5-methyl-4-propan-2-ylpyrazole?
1-(4-methoxycyclohexyl)-5-methyl-4-propan-2-ylpyrazole has a molecular weight of 236.36 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxycyclohexyl)-5-methyl-4-propan-2-ylpyrazole is sourced from PubChem (CID 176692261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).